Ag1As1Li2
Ag1As1Li2 is a semiconducting ternary compound consisting of silver, arsenic, and lithium that is currently of interest in computational materials science.
About Ag1As1Li2
Ag1As1Li2 is a ternary inorganic compound composed of silver, arsenic, and lithium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys or purely ionic insulators.
While the compound has been identified across numerous structural configurations in computational databases, it remains thermodynamically metastable. This suggests that while it can be modeled in various crystalline arrangements, it requires specific synthesis conditions to be realized in a laboratory setting.
Key Properties
Cross-validated computational properties for Ag1As1Li2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ag1As1Li2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.92 | 1.2717 | -9.505 | 0.38 |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1As1Li2, answered from cross-validated data.
What is Ag1As1Li2?
Ag1As1Li2 is a semiconducting ternary compound consisting of silver, arsenic, and lithium that is currently of interest in computational materials science.
What is the band gap of Ag1As1Li2?
Is Ag1As1Li2 a metal, semiconductor, or insulator?
Is Ag1As1Li2 thermodynamically stable?
What is the crystal structure of Ag1As1Li2?
What is the density of Ag1As1Li2?
How many polymorphs of Ag1As1Li2 are known?
What elements does Ag1As1Li2 contain?
Where does the data for Ag1As1Li2 come from?
How It Compares
As a unique ternary phase, Ag1As1Li2 represents a complex interplay of elements that does not fit neatly into common binary or simple ternary material classes. Its existence as a metastable semiconducting phase highlights the challenges in predicting stable stoichiometry within the silver-arsenic-lithium chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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